5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid

C9H12N2O5S — CID 61403327

IUPAC5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
SMILESNCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H12N2O5S/c10-3-4-11-17(15,16)6-1-2-8(12)7(5-6)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyIRQMAPAHRQZQHH-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.67
Rot. Bonds5

About 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid

5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 61403327) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID61403327
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
SMILESNCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H12N2O5S/c10-3-4-11-17(15,16)6-1-2-8(12)7(5-6)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14)
InChIKeyIRQMAPAHRQZQHH-UHFFFAOYSA-N
XLogP-0.67
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
CID 113464976
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid (CID 61403327) is 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid is NCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is IRQMAPAHRQZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c10-3-4-11-17(15,16)6-1-2-8(12)7(5-6)9(13)14/h1-2,5,11-12H,3-4,10H2,(H,13,14).
What are the key properties of 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid?
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 260.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 61403327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).